SCHEMBL1807993

SCHEMBL1807993

Cc1cc([S])c(S(N)(=O)=O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PDIA6 Q15084 1/20 0.38
CA12 O43570 8/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 8/20 0.38
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28827972 0.78 ALDH1A1 (0.50) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL1805069 0.77 RAPGEF4 (0.36) KDM4EALDH1A1RAPGEF4TSHRLMNA
SCHEMBL1810172 0.76 ALDH1A1 (0.43) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL16936497 0.74 TSHR (0.55) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL1804646 0.74 KDM4E (0.52) KDM4EALDH1A1CA12CA1CA2
SCHEMBL3773170 0.73 KDM4E (0.45) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL1807996 0.73 CA12 (0.45) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL1808292 0.71 PDIA6 (0.53) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL11511279 0.70 KDM4E (0.52) KDM4EALDH1A1PDIA6CA12CA1
SCHEMBL2931330 0.70 ALDH1A1 (0.46) KDM4EALDH1A1PDIA6CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 KDM4E 1406/4885ALDH1A1 218/4885PDIA6 2683/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.